Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"


Skelton, J., 2017. Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor". University of Bath. https://doi.org/10.15125/BATH-00338.


Dataset abstract

Raw data to accompany the article "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor". This dataset contains the optimised crystal structure of pi-cubic SnS, data from the lattice-dynamics calculations including the calculated force constants and phonon spectra, data from the electronic-structure calculations, and the simulated frequency-dependent dielectric function and derived properties.

Title: Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"
Subjects: Energy > Solar Technology
Materials sciences > Materials Characterisation
Tools, technologies and methods > High Performance Computing
Departments: Faculty of Science > Chemistry
DOI: https://doi.org/10.15125/BATH-00338
URI: http://researchdata.bath.ac.uk/id/eprint/338
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